Title: In vitro and in silico analysis of marine actinobacterial bioactive compounds: inhibitors of cancer

Authors: N.S. Swarnakumar; Uma Nageswari Kalaivanan; Elangovan Dilipan

Addresses: Climate+, Conservation Development, Environmental Services, 67 Ayer Rajah Crescent, #04-11, 139950, Singapore; CAS in Marine Biology, Annamalai University, Parangipettai 608502, Tamil Nadu, India ' Department of Biomedical Sciences, Faculty of Medicine, MAHSA University, Bandar Saujana Putra, 42610, Malaysia ' Marine Material Chemistry Lab, Department of Physiology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai 600077, Tamil Nadu, India

Abstract: Marine actinobacteria are important screening targets because of their variety and propensity to create new metabolites and other pharmaceutical molecules. The study used Hep2 cancer cell lines and Vero normal cell lines to test the cytotoxicity of the SNI5 and SNI10 strains of actinobacteria. The ethyl acetate extract of two strains of actinobacteria was tested, and the most effective extract was put through GC-MS profiling of metabolites. The discovered compounds were docked against an O-glycosylated (MUC16) protein molecule, and their protein-ligand interactions were investigated. Extracts of the strain SNI5 showed 100% cytotoxicity only on the Hep2 cells. However, the SNI10 extract showed 100% cytotoxicity both in Hep2 cells and Vero cells at all concentrations (500 to 65.2 µg). The actinobacterial SNI5 strain controlled 75% of the cancer cell line, and at the same concentration, there was no cell death in the normal cell lines. Autodock software simulations showed that oleic acid forms stronger hydrogen bonds with MUC6 (hydrogen bound to nine amino acid moieties). Therefore, it has been found that oleic acid interacts with cancer proteins responsible for metastasis.

Keywords: marine actinobacteria; cytotoxicity; GCMS; molecular docking; cancer.

DOI: 10.1504/IJBRA.2025.150110

International Journal of Bioinformatics Research and Applications, 2025 Vol.21 No.6, pp.640 - 656

Received: 27 Sep 2023
Accepted: 29 Apr 2024
Published online: 01 Dec 2025 *

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